Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0002625)
Spectrum Details
| MiMe ID: | MMDBc0002625 |
|---|---|
| Compound Name: | Asterriquinone B1 |
| Derivative IUPAC Name: | 2,5-dimethoxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1-(trimethylsilyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione |
| Derivative SMILES: | C=CC(C)(C)C1=C(C2=C(OC)C(=O)C(C3=CNC4=C(CC=C(C)C)C=CC=C34)=C(OC)C2=O)C2=CC=CC=C2N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QYXPJRVBPLSAIW-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C34H34N2O4 |
| Molecular Weight (Monoisotopic Mass): | 534.2519 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References